|
INTERNATIONAL TABLES for CRYSTALLOGRAPHY |
Volume G |
Definition and Exchange of Crystallographic Data |
This document provides an inventory of the data items listed in the CIF Glossary and indicates the known requirements at that time of crystallographic publications and data bases, with a check list of data items generated by different program systems.
CIF Document: #3 Version Oct22-89
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+++ +++
+++ CHECK LIST of +++
+++ Proposed CIF Data Names +++
+++ +++
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Syd Hall, Max-Planck-Institut fuer Kohlenforschung,
Mulheim/Ruhr, F.R.G.
Frank Allen, Cambridge Crystallographic Data Centre,
Cambridge University, Cambridge, U.K.
David Brown, McMaster University, Hamilton, Canada.
The CIF data descriptor names are grouped in alphabetic order of the 'list_'
names. The data names used for IUCr file administration purposes (e.g.
'journal_') are not listed. Each data name is flagged with a code which
identifies its application or if it is generated by a program system.
Codes indicate if the data item is needed for:
1 AC Acta Crystallographica
2 CD Cambridge Data Base
3 ID Inorganic Data Base
4 MD Metals Data Base
5 PD Protein Data Bank
Codes indicate if the data item is generated by:
11 SH SHELX_90 system
12 XT XTAL3.0 system
13 CR CRYSTALS system
Data Name
-------------------------------- 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16
_atom_site_label AC CD ID . . . . . . . SH XT CR . . .
_atom_site_type_symbol AC CD ID . . . . . . . . XT CR . . .
_atom_site_code_1_number . . . . PD . . . . . . . . . . .
_atom_site_code_2_residue . . . . PD . . . . . . . . . . .
_atom_site_code_3_sequence . . . . PD . . . . . . . . . . .
_atom_site_code 4 remoteness . . . . PD . . . . . . . . . . .
_atom_site_code_5_chain_order . . . . PD . . . . . . . . . . .
_atom_site_code_6_alternate . . . . PD . . . . . . . . . . .
_atom_site_code_7_footnote . . . . PD . . . . . . . . . . .
_atom_site_Wyckoff_symbol AC . ID . . . . . . . . . . . . .
_atom_site_description . CD . . . . . . . . . . . . . .
_atom_site_calc_flag AC CD . . . . . . . . SH XT . . . .
_atom_site_calc_attached_atom AC CD . . . . . . . . SH XT . . . .
_atom_site_attached_hydrogens . . ID . . . . . . . SH XT . . . .
_atom_site_thermal_motion_type . CD ID . . . . . . . SH XT CR . . .
_atom_site_refinement_flags . . . . . . . . . . SH XT . . . .
_atom_site_constraints AC CD . . . . . . . . SH XT CR . . .
_atom_site_restraints AC CD . . . . . . . . SH XT CR . . .
_atom_site_fract_x AC CD ID . . . . . . . SH XT CR . . .
_atom_site_fract_y AC CD ID . . . . . . . SH XT CR . . .
_atom_site_fract_z AC CD ID . . . . . . . SH XT CR . . .
_atom_site Cartn_x . . . . . . . . . . . . . . . .
_atom_site Cartn_y . . . . . . . . . . . . . . . .
_atom_site Cartn_z . . . . . . . . . . . . . . . .
_atom_site_U_iso_or_equiv AC CD ID . . . . . . . SH XT CR . . .
_atom_site_occupancy AC CD ID . . . . . . . SH XT CR . . .
_atom_site_symmetry_multiplicity AC CD ID . . . . . . . SH XT CR . . .
_atom_site_aniso_label AC CD ID . . . . . . . SH XT CR . . .
_atom_site_aniso_U_11 AC CD ID . . . . . . . SH XT CR . . .
_atom_site_aniso_U_22 AC CD ID . . . . . . . SH XT CR . . .
_atom_site_aniso_U_33 AC CD ID . . . . . . . SH XT CR . . .
_atom_site_aniso_U_12 AC CD ID . . . . . . . SH XT CR . . .
_atom_site_aniso_U_13 AC CD ID . . . . . . . SH XT CR . . .
_atom_site_aniso_U_23 AC CD ID . . . . . . . SH XT CR . . .
_atom_site_fract_to_Cartn_axes . . . . . . . . . . . . . . . .
_atom_site_fract_to_Cartn_mat_11 . . . . . . . . . . . XT CR . . .
_atom_site_fract_to_Cartn_mat_21 . . . . . . . . . . . XT CR . . .
_atom_site_fract_to_Cartn_mat_31 . . . . . . . . . . . XT CR . . .
_atom_site_fract_to_Cartn_mat_12 . . . . . . . . . . . XT CR . . .
_atom_site_fract_to_Cartn mat_22 . . . . . . . . . . . XT CR . . .
_atom_site_fract_to_Cartn_mat_32 . . . . . . . . . . . XT CR . . .
_atom_site_fract_to_Cartn_mat_13 . . . . . . . . . . . XT CR . . .
_atom_site_fract to_Cartn mat_23 . . . . . . . . . . . XT CR . . .
_atom_site_fract_to_Cartn_mat_33 . . . . . . . . . . . XT CR . . .
---------------------------------
_atom_type_symbol . CD . . . . . . . . SH XT CR . . .
_atom_type_description . CD . . . . . . . . . XT CR . . .
_atom_type_number_in_cell . CD . . . . . . . . SH XT . . . .
_atom_type_radius_bond . . . . . . . . . . SH XT CR . . .
_atom_type_radius_contact . . . . . . . . . . . . CR . . .
_atom_type_oxidation_number . . . . . . . . . . . . . . . .
_atom_type_sf_source . . . . . . . . . . SH XT . . . .
_atom_type_sf_Cromer_Mann_a1 . . . . . . . . . . SH XT CR . . .
_atom_type_sf_Cromer Mann b1 . . . . . . . . . . SH XT CR . . .
_atom_type_sf_Cromer_Mann_a2 . . . . . . . . . . SH XT CR . . .
_atom_type_sf_Cromer_Mann_b2 . . . . . . . . . . SH XT CR . . .
_atom_type_sf_Cromer_Mann_a3 . . . . . . . . . . SH XT CR . . .
_atom_type_sf_Cromer_Mann_b3 . . . . . . . . . . SH XT CR . . .
_atom_type_sf_Cromer_Mann_a4 . . . . . . . . . . SH XT CR . . .
_atom_type_sf_Cromer_Mann_b4 . . . . . . . . . . SH XT CR . . .
_atom_type_sf_Cromer_Mann_c . . . . . . . . . . SH XT CR . . .
_atom_type_sf_dispersion_real . . . . . . . . . . SH XT CR . . .
_atom_type_sf_dispersion_imag . . . . . . . . . . SH XT CR . . .
_atom_type_sf_versus_angle_list . . . . . . . . . . . . . . . .
---------------------------------
_cell_special_details . . . . . . . . . . . . . . . .
_cell_a AC CD ID . . . . . . . SH XT CR . . .
_cell_b AC CD ID . . . . . . . SH XT CR . . .
_cell_c AC CD ID . . . . . . . SH XT CR . . .
_cell_alpha AC CD ID . . . . . . . SH XT CR . . .
_cell_beta AC CD ID . . . . . . . SH XT CR . . .
_cell_gamma AC CD ID . . . . . . . SH XT CR . . .
~cell_volume AC CD . . . . . . . . SH XT CR . . .
_cell_formula_units Z AC CD ID . . . . . . . SH XT CR . . .
_cell_measurement_temperature AC CD ID . . . . . . . . . . . . .
_cell_measurement_pressure AC CD ID . . . . . . . . . . . . .
_cell_measurement_radiation . . . . . . . . . . . . . . . .
_cell_measurement_wavelength . . . . . . . . . . . . . . . .
_cell_measurement_reflns_used AC . . . . . . . . . . . . . . .
_Cell_measurement_theta_min AC . . . . . . . . . . . . . . .
_cell_measurement_theta_max AC . . . . . . . . . . . . . . .
---------------------------------
_chemical_name_systematic AC CD ID . . . . . . . . XT . . . .
_chemical_name_common AC CD ID . . . . . . . . XT . . . .
_Chemical_name_mineral AC CD ID . . . . . . . . XT . . . .
_chemical_name_structure_type AC . . . . . . . . . . . . . . .
_chemical_formula_sum . . . . . . . . . . . . . . . .
_chemical_formula_moiety AC CD ID . . . . . . . SH XT CR . . .
_chemical_formula_structural . CD . . . . . . . . . . . . . .
_chemical_formula_analytical AC . ID . . . . . . . . . . . . .
_chemical_formula_residue_seq . . . . . . . . . . . . . . . .
_chemical_formula_weight AC CD . . . . . . . . SH XT CR . . .
_chemical_compound_source AC CD . . . . . . . . . . . . . .
_chemical_melting_point AC CD . . . . . . . . . XT . . . .
---------------------------------
_computing_data_collection . . . . . . . . . . . . . . . .
_computing_cell_refinement . . . . . . . . . . . . . . . .
_computing_data_reduction . . . . . . . . . . . . . . . .
_computing_structure_solution . . . . . . . . . . . . . . . .
_computing_structure_refinement . . . . . . . . . . . . . . . .
_computing_molecular_graphics . . . . . . . . . . . . . . . .
_computing_diagram_preparation . . . . . . . . . . . . . . . .
---------------------------------
_data_base_code_CAS . CD . . . . . . . . . . . . . .
_data_base_code_CSD . CD . . . . . . . . . . . . . .
_data base code_ICSD . . ID . . . . . . . . . . . . .
_data_base_code_PDF . . . . . . . . . . . . . . . .
_data_base_code_MDF . . . . . . . . . . . . . . . .
_data_base_code_NBS . CD . . . . . . . . . . . . . .
---------------------------------
_diffrn_special_details AC CD ID . . . . . . . . . . . . .
_diffrn_temperature AC CD ID . . . . . . . . XT . . . .
_diffrn_pressure AC CD ID . . . . . . . . XT . . . .
_diffrn_radiation_wavelength AC . . . . . . . . . SH XT CR . . .
_diffrn_radiation_type AC . . . . . . . . . . XT CR . . .
_diffrn_radiation_source AC . . . . . . . . . . XT . . . .
_diffrn_radiation_monochromator AC . . . . . . . . . . XT CR . . .
_diffrn_radiation_detector AC . . . . . . . . . . XT . . . .
_diffrn_camera_geometry AC . . . . . . . . . . . CR . . .
_diffrn_camera_model AC CD . . . . . . . . . . . . . .
_diffrn_diffractometer_geometry AC . . . . . . . . . . . CR . . .
_diffrn_diffractometer_model AC CD . . . . . . . . . . . . . .
_diffrn_measurement_process . . . . . . . . . . . . . . . .
_diffrn_orient_matrix_11 . . . . . . . . . . . . CR . . .
_diffrn_orient_matrix_21 . . . . . . . . . . . . CR . . .
_diffrn_orient_matrix_31 . . . . . . . . . . . . CR . . .
_diffrn_orient_matrix_12 . . . . . . . . . . . . CR . . .
_diffrn_orient_matrix_22 . . . . . . . . . . . . CR . . .
_diffrn_orient_matrix_32 . . . . . . . . . . . . CR . . .
_diffrn_orient_matrix_13 . . . . . . . . . . . . CR . . .
_diffrn_orient_matrix_23 . . . . . . . . . . . . CR . . .
_diffrn_orient_matrix_33 . . . . . . . . . . . . CR . . .
_diffrn_orient_matrix_33 . . . . . . . . . . . . CR . . .
_diffrn_orient_refln_h . . . . . . . . . . . . CR . . .
_diffrn_orient_refln_k . . . . . . . . . . . . CR . . .
_diffrn_orient_refln_l . . . . . . . . . . . . CR . . .
_diffrn_orient_refln_phi . . . . . . . . . . . . CR . . .
_diffrn_orient_refln_chi . . . . . . . . . . . . CR . . .
_diffrn_orient_refln_psi . . . . . . . . . . . . CR . . .
_diffrn_orient_refln_kappa . . . . . . . . . . . . CR . . .
_diffrn_standards_h . . . . . . . . . . . . . . . .
_diffrn_standards_k . . . . . . . . . . . . . . . .
_diffrn_standards_l . . . . . . . . . . . . . . . .
_diffrn_standards_number AC . . . . . . . . . . . . . . .
_diffrn_standards_interval AC . . . . . . . . . . . . . . .
_diffrn_standards_decay_% . . . . . . . . . . . . . . . .
_diffrn_standards_scale_sigma . . . . . . . . . . . . . . . .
_diffrn_scale_group_code . . . . . . . . . . . XT . . . .
_diffrn_scale_I_net . . . . . . . . . . . XT . . . .
_diffrn_attenuator_code . . . . . . . . . . . XT . . . .
_diffrn_attenuator_scale . . . . . . . . . . . XT . . . .
_diffrn_refln_h . . . . . . . . . . . . . . . .
_diffrn_refln_k . . . . . . . . . . . . . . . .
_diffrn_refln_l . . . . . . . . . . . . . . . .
_diffrn_refln_counts_total . . . . . . . . . . . . . . . .
_diffrn_refln_counts_net . . . . . . . . . . . . . . . .
_diffrn_refln_counts_bg_1 . . . . . . . . . . . . . . . .
_diffrn_refln_counts_bg_2 . . . . . . . . . . . . . . . .
_diffrn_refln_counts_peak . . . . . . . . . . . . . . . .
_diffrn_refln_scale_group_code . . . . . . . . . . . . . . . .
_diffrn_refln_attenuator_code . . . . . . . . . . . . . . . .
_diffrn_refln_intensity . . . . . . . . . . . . . . . .
_diffrn_refln_intensity_sigma . . . . . . . . . . . . . . . .
_diffrn_refln_sint/lambda . . . . . . . . . . . . . . . .
_diffrn_refln_theta . . . . . . . . . . . . . . . .
_diffrn_refln_omega . . . . . . . . . . . . . . . .
_diffrn_refln_phi . . . . . . . . . . . . . . . .
_diffrn_refln_chi . . . . . . . . . . . . . . . .
_diffrn_refln_psi . . . . . . . . . . . . . . . .
_dlffrn_refln_kappa . . . . . . . . . . . . . . . .
_diffrn_reflns_reduction_process . . . . . . . . . . . . . . . .
_diffrn_reflns_theta_min AC . . . . . . . . . SH XT CR . . .
_diffrn_reflns_theta_max AC . . . . . . . . . SH XT CR . . .
_diffrn_reflns_h_min . . . . . . . . . . . . . . . .
_diffrn_reflns_h_max . . . . . . . . . . . . . . . .
_diffrn_reflns_k_min . . . . . . . . . . . . . . . .
_diffrn_reflns_k_max . . . . . . . . . . . . . . . .
_diffrn_reflns_min . . . . . . . . . . . . . . . .
_diffrn_reflns_max . . . . . . . . . . . . . . . .
_diffrn_reflns_number . . . . . . . . . . . . . . . .
_diffrn_reflns_merge_R_factor AC . . . . . . . . . SH XT CR . . .
_diffrn_reflns_transf_matrix_11 . . . . . . . . . . . . . . . .
_diffrn_reflns_transf_matrix_21 . . . . . . . . . . . . . . . .
_diffrn_reflns_transf_matrix_31 . . . . . . . . . . . . . . . .
_diffrn_reflns_transf_matrix_12 . . . . . . . . . . . . . . . .
_diffrn_reflns_transf_matrix_22 . . . . . . . . . . . . . . . .
_diffrn_reflns_transf_matrix_32 . . . . . . . . . . . . . . . .
_diffrn_reflns_transf_matrix_13 . . . . . . . . . . . . . . . .
_diffrn_reflns_transf_matrix_23 . . . . . . . . . . . . . . . .
_diffrn_reflns_transf_matrix_33 . . . . . . . . . . . . . . . .
---------------------------------
_exptl_special_details AC CD . . . . . . . . SH XT CR . . .
_exptl_crystal_description AC CD . . . . . . . . . . . . . .
_exptl_crystal_colour AC CD . . . . . . . . . . . . . .
_exptl_crystal_size_max AC . . . . . . . . . . . . . . .
_exptl_crystal_size_mid AC . . . . . . . . . . . . . . .
_exptl_crystal_size_min AC . . . . . . . . . . . . . . .
_exptl_crystal_density_diffrn AC CD . . . . . . . . SH XT CR . . .
_exptl_crystal_density_measured AC CD ID . . . . . . . . XT . . . .
_exptl_crystal_F(000) . . . . . . . . . . SH XT CR . . .
_exptl_crystal_face_h . . . . . . . . . . . . . . . .
_exptl_crystal_face_k . . . . . . . . . . . . . . . .
_exptl_crystal_face_l . . . . . . . . . . . . . . . .
_exptl_crystal_face_perp_dist . . . . . . . . . . . . . . . .
_exptl_crystal_face_diffr_phi . . . . . . . . . . . . . . . .
_exptl_crystal_face_diffr_chi . . . . . . . . . . . . . . . .
_exptl_crystal_face_diffr_psi . . . . . . . . . . . . . . . .
_exptl_crystal_face_diffr_kappa . . . . . . . . . . . . . . . .
_exptl_absorpt_coefficient_mu AC . . . . . . . . . SH XT CR . . .
_exptl_absorpt_correction_type AC . . . . . . . . . . XT CR . . .
_exptl_absorpt_correction_T_min AC . . . . . . . . . SH XT . . . .
_exptl_absorpt_correction_T_max AC . . . . . . . . . SH XT CR . . .
---------------------------------
_geom_structure_special_details AC CD . . . . . . . . . . . . . .
_geom_atom_chem_label . CD . . . . . . . . . . . . . .
_geom_atom_site_label . CD . . . . . . . . . . . . . .
_geom_atom_chem_Cartn_x . CD . . . . . . . . . . . . . .
_geom_atom_chem_Cartn_y . CD . . . . . . . . . . . . . .
_geom_atom_chem_connections . CD . . . . . . . . . . . . . .
_geom_distance_atom_label_1 AC CD . . . . . . . . SH XT CR . . .
_geom_distance_atom_label_2 AC CD . . . . . . . . SH XT CR . . .
_geom_distance AC CD . . . . . . . . SH XT CR . . .
---------------------------------
_publ_title AC . ID . . . . . . . . . . . . .
_publ_abstract AC . . . . . . . . . . . . . . .
_publ_introduction AC . . . . . . . . . . . . . . .
_publ_experimental . . . . . . . . . . . . . . . .
_publ_discussion . . . . . . . . . . . . . . . .
_publ_related_literature . . . . . . . . . . . . . . . .
_publ_acknowledgements . . . . . . . . . . . . . . . .
_publ_references . . . . . . . . . . . . . . . .
_publ_tables . . . . . . . . . . . . . . .
_publ_figure_captions . . . . . . . . . . . . . . . .
_publ_manuscript . . . . . . . . . . . . . . . .
_publ_author_name AC CD ID . . . . . . . . . . . . .
_publ_author_address AC CD . . . . . . . . . . . . . .
_publ_contact_letter AC . . . . . . . . . . . . . . .
_publ_contact_author_address AC CD . . . . . . . . . . . . . .
_publ_contact_author_phone AC CD . . . . . . . . . . . . . .
_publ_contact_author_fax AC CD . . . . . . . . . . . . . .
_publ_contact_author_email AC CD . . . . . . . . . . . . . .
_publ_requested_journal AC . . . . . . . . . . . . . . .
_publ_requested_coeditor_name AC . . . . . . . . . . . . . . .
---------------------------------
_refine_special_details AC . . . . . . . . . . . . . . .
_refine_ls_structure_factor_coef AC . . . . . . . . . SH XT CR . . .
_refine_ls_matrix_type AC . . . . . . . . . SH XT CR . . .
_refine_ls_weighting_scheme AC . . . . . . . . . SH XT CR . . .
_refine_ls_hydrogen_treatment AC . . . . . . . . . . . CR . . .
_refine_ls_extinction_procedure AC . . . . . . . . . SH XT CR . . .
_refine_ls_extinction coef AC . . . . . . . . . SH XT CR . . .
_refine_ls_abs_structure_details AC CD . . . . . . . . . . . . . .
_refine_ls_abs_structure_Flack AC CD ID . . . . . . . SH XT CR . . .
_refine_ls_abs_structure_Rogers AC CD ID . . . . . . . . XT CR . . .
_refine_ls_number_reflns AC CD . . . . . . . . SH XT CR . . .
_refine_ls_number_parameters AC CD . . . . . . . . SH XT CR . . .
_refine_ls_number_restraints AC CD . . . . . . . . SH XT CR . . .
_refine_ls_number_constraints AC CD . . . . . . . . . . . . . .
_refine_ls_R_factor_all AC . ID . . . . . . . SH XT CR . . .
_refine_ls_R_factor_obs AC CD . . . . . . . . SH XT CR . . .
_refine_ls_R2_factor_all . . . . . . . . . . SH XT CR . . .
_refine_ls_R2_factor_obs . . . . . . . . . . SH XT CR . . .
_refine_ls_wR2_factor_all AC . . . . . . . . . SH XT CR . . .
_refine_ls_wR2_factor_obs AC CD . . . . . . . . SH XT CR . . .
_refine_ls_goodness_of_fit_all AC . . . . . . . . . SH XT CR . . .
_refine_ls_goodness_of_fit_obs AC . . . . . . . . . SH XT CR . . .
_refine_ls_shift/esd_max AC . . . . . . . . . SH XT CR . . .
_refine_ls_shift/esd mean AC . . . . . . . . . SH XT CR . . .
_refine_difference_density_min AC . . . . . . . . . SH XT CR . . .
_refine_difference_density_max AC . . . . . . . . . SH XT CR . . .
---------------------------------
_reflns_special_details AC . . . . . . . . . SH XT CR . . .
_reflns_h_min AC . . . . . . . . . SH XT CR . . .
_reflns_h_max AC . . . . . . . . . SH XT CR . . .
_reflns_k_min AC . . . . . . . . . SH XT CR . . .
_reflns_k_max AC . . . . . . . . . SH XT CR . . .
_reflns_l_min AC . . . . . . . . . SH XT CR . . .
_reflns_l_max AC . . . . . . . . . SH XT CR . . .
_reflns_number AC . . . . . . . . . SH XT CR . . .
_reflns_number_observed AC . . . . . . . . . SH XT CR . . .
_reflns_observed_criterion AC . . . . . . . . . SH XT CR . . .
_reflns_d_resolution_high . . . . . . . . . . SH XT . . . .
_reflns_d_resolution_low . . . . . . . . . . SH XT . . . .
_reflns_scale_group_code . . . . . . . . . . . . . . . .
_reflns_scale_intensity_meas . . . . . . . . . . . . . . . .
_reflns_scale_F_squared_meas . . . . . . . . . . . . . . . .
_reflns_scale_F_meas . . . . . . . . . . . . . . . .
_refln_h AC . . . . . . . . . SH XT CR . . .
_refln_k AC . . . . . . . . . SH XT CR . . .
_refln_l AC . . . . . . . . . SH XT CR . . .
_refln_observed_status . . . . . . . . . . . XT CR . . .
_refln_refinement_status AC . . . . . . . . . SH XT CR . . .
_refln_intensity_meas . . . . . . . . . . . XT . . . .
_refln_intensity_sigma . . . . . . . . . . . XT . . . .
_refln_intensity_calc . . . . . . . . . . . . . . . .
_refln_F_squared_meas . . . . . . . . . . SH XT CR . . .
_refln_F_squared_sigma . . . . . . . . . . SH XT CR . . .
_refln_F_squared_calc . . . . . . . . . . . . CR . . .
_refln_F_meas AC . . . . . . . . . . XT CR . . .
_refln_F_sigma AC . . . . . . . . . . XT CR . . .
_refln_F_calc AC . . . . . . . . . . XT CR . . .
_refln_A_meas . . . . . . . . . . . . . . . .
_refln_A_calc . . . . . . . . . . SH . CR . . .
_refln_B_meas . . . . . . . . . . . . . . . .
_refln_B_calc . . . . . . . . . . SH . CR . . .
_refln_phase_meas . . . . . . . . . . . . . . . .
_refln_phase_calc . . . . . . . . . . . XT CR . . .
_refln_scale_group_code . . . . . . . . . . . XT CR . . .
_refln_symmetry_multiplicity . . . . . . . . . . . XT . . . .
_refln_symmetry_epsilon . . . . . . . . . . . XT . . . .
_refln_sint/lambda . . . . . . . . . . . XT CR . . .
---------------------------------
_symmetry_crystal_axes AC CD ID . . . . . . . . XT . . . .
_symmetry_name_Hermann-Mauguin AC CD ID . . . . . . . . . CR . . .
_symmetry_name_Hall . CD ID . . . . . . . . XT . . . .
_symmetry_name_Int_Tables_number AC CD ID . . . . . . . . . . . . .
_symmetry_equiv_pos_as_xyz . CD . . . . . . . . SH XT CR . . .
---------------------------------
Please send all updates of this list to: S.R. Hall, MPI Kohlenforschung,
Kaiser Wilhelm Platz 1, D-4330 Muelheim-Ruhr, FRG. Fax:[49]208 306 407
Email: [email protected] Phone:[49]208 306 491.
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Copyright © 2005 International Union of Crystallography